Ethanol → 4-(9-Hydroxynonyl)-7-methoxymethoxy-3-(4-methoxymethoxyphenyl)-3-methylchroman
반응식
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]1[C:17]([CH3:30])([c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][O:39][CH3:40])[cH:35][cH:36]2)[CH2:18][O:19][c:20]2[cH:21][c:22]([O:26][CH2:27][O:28][CH3:29])[cH:23][cH:24][c:25]21)([CH3:5])([CH3:41])[CH3:42].[CH3:44][CH2:45][OH:46].[OH2:43]>>[OH:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]1[C:17]([CH3:30])([c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][O:39][CH3:40])[cH:35][cH:36]2)[CH2:18][O:19][c:20]2[cH:21][c:22]([O:26][CH2:27][O:28][CH3:29])[cH:23][cH:24][c:25]21참가 물질
4
출처 및 근거
- ORD 기록
- ord-f981c04dbb624b7eadd9f056b090e20f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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